>compound D-Alloisoleucine_D-Alloisoleucine
#instrument UPLC Q-Tof Premier, Waters
>formula C6H13NO2
#smiles CC[C@H](C)[C@@H](N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100388.txt;LC-ESI-QTOF_train_data/PR100840.txt
>charge 1
>ionization [M+H]+
>parentmass 132.10242

>collision 5-60
69.0709 480.9
86.0954 2728.0
132.1024 258.4

>collision 5-60
130.0868 260.5

